METHOD AND DEVICE FOR CALCULATING OPTIMIZATION SOLUTION OF MULTIPLE MUTANT PROTEIN AMINO ACID SEQUENCE, AND STORAGE MEDIUM WHERE PROGRAM FOR EXECUTING THE METHOD IS STORED

摘要

The present invention provides a method for calculating an optimized solution of the amino acid sequences of multiple-mutated proteins. The method comprises searching the three-dimensional structural coordinates of amino acid side chains of the amino acid sequences of members of a multiple-mutated protein population based on the three-dimensional structure data of a template protein population using a dead end elimination algorithm, and executing structural energy minimization calculations for the members, thereby calculating the three-dimensional structural coordinates of an optimum multiple-mutated protein, calculating a characteristic value from the three-dimensional structural coordinates of the optimum multiple-mutated protein, and applying a genetic algorithm to the multiple-mutated protein population to calculate the members which optimize the characteristic value. According to the present invention, an optimum solution can be selected from a multiple-mutated protein population having an enormous number of combinations based on a characteristic value without reducing accuracy and within a short time.